REMARK Name = BDB058999 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.022 -0.341 0.479 0.00 0.00 +0.038 A ATOM 2 C LIG 1 0.008 0.777 1.323 0.00 0.00 +0.021 A ATOM 3 C LIG 1 -1.021 1.726 1.244 0.00 0.00 -0.017 A ATOM 4 C LIG 1 -2.049 1.531 0.307 0.00 0.00 +0.014 A ATOM 5 C LIG 1 -2.057 0.414 -0.541 0.00 0.00 -0.026 A ATOM 6 C LIG 1 -1.016 -0.523 -0.441 0.00 0.00 +0.018 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -1.031 2.895 2.134 0.00 0.00 -0.015 A ATOM 8 C LIG 1 -0.555 4.162 1.720 0.00 0.00 -0.040 A ATOM 9 C LIG 1 -0.001 4.383 0.338 0.00 0.00 +0.044 C ATOM 10 C LIG 1 -0.606 5.243 2.615 0.00 0.00 +0.042 A ATOM 11 C LIG 1 -1.109 5.067 3.900 0.00 0.00 +0.124 A ATOM 12 F LIG 1 -1.148 6.109 4.740 0.00 0.00 -0.205 F ATOM 13 C LIG 1 -1.570 3.830 4.323 0.00 0.00 +0.039 A ATOM 14 C LIG 1 -1.531 2.748 3.443 0.00 0.00 +0.011 A ENDBRANCH 3 7 BRANCH 1 17 ATOM 15 N LIG 1 1.427 -2.086 -0.491 0.00 0.00 -0.307 N ATOM 16 H LIG 1 1.013 -1.845 -1.379 0.00 0.00 +0.149 HD ATOM 17 C LIG 1 1.144 -1.313 0.615 0.00 0.00 +0.244 C ATOM 18 O LIG 1 1.782 -1.371 1.661 0.00 0.00 -0.270 OA BRANCH 15 19 ATOM 19 C LIG 1 2.582 -2.955 -0.531 0.00 0.00 +0.140 C BRANCH 19 22 ATOM 20 C LIG 1 5.579 -0.689 -1.173 0.00 0.00 +0.120 A ATOM 21 C LIG 1 4.525 -1.345 -0.535 0.00 0.00 +0.050 A ATOM 22 C LIG 1 3.735 -2.279 -1.228 0.00 0.00 -0.027 A ATOM 23 C LIG 1 4.010 -2.541 -2.577 0.00 0.00 +0.005 A ATOM 24 C LIG 1 5.065 -1.892 -3.216 0.00 0.00 +0.004 A ATOM 25 C LIG 1 5.845 -0.972 -2.514 0.00 0.00 +0.045 A BRANCH 20 27 ATOM 26 C LIG 1 6.157 0.577 0.752 0.00 0.00 +0.277 C ATOM 27 O LIG 1 6.410 0.237 -0.606 0.00 0.00 -0.495 OA ENDBRANCH 20 27 ENDBRANCH 19 22 ENDBRANCH 15 19 ENDBRANCH 1 17 BRANCH 5 28 ATOM 28 C LIG 1 -3.179 0.202 -1.535 0.00 0.00 +0.159 C BRANCH 28 29 ATOM 29 N LIG 1 -4.050 -0.876 -1.122 0.00 0.00 -0.313 N ATOM 30 C LIG 1 -3.938 -2.186 -1.594 0.00 0.00 +0.204 A ATOM 31 N LIG 1 -3.092 -2.625 -2.456 0.00 0.00 -0.268 NA ATOM 32 H LIG 1 -3.259 -3.621 -2.600 0.00 0.00 +0.190 HD ATOM 33 N LIG 1 -4.937 -2.886 -0.906 0.00 0.00 -0.320 N ATOM 34 C LIG 1 -5.144 -4.311 -0.972 0.00 0.00 +0.152 C ATOM 35 C LIG 1 -5.582 -2.026 -0.024 0.00 0.00 +0.106 A ATOM 36 C LIG 1 -5.047 -0.805 -0.159 0.00 0.00 +0.107 A ENDBRANCH 28 29 ENDBRANCH 5 28 TORSDOF 7